SCHEMBL5324470

SCHEMBL5324470

CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)cccc3nc2-1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 18/20 0.79
▸ MEN1 O00255 4/20 0.78
▸ KMT2A Q03164 4/20 0.78
▸ SMN1; SMN2 Q16637 4/20 0.78
▸ ALDH1A1 P00352 3/20 0.78
▸ GLA P06280 3/20 0.78
▸ RECQL P46063 2/20 0.78
▸ TDP1 Q9NUW8 2/20 0.78
▸ KDM4E B2RXH2 5/20 0.77
▸ MAPT P10636 3/20 0.77
▸ RAB9A P51151 2/20 0.77
▸ BLM P54132 2/20 0.77
▸ POLB P06746 1/20 0.77
▸ LMNA P02545 3/20 0.76
▸ HBB P68871 3/20 0.76
▸ HIF1A Q16665 3/20 0.76
▸ USP2 O75604 2/20 0.76
▸ CASP1 P29466 2/20 0.76
▸ BRCA1 P38398 2/20 0.76
▸ CASP7 P55210 2/20 0.76

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27625556 1.00 TOP1 (0.79) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL27489142 0.93 TOP1 (0.85) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3847426 0.93 TOP1 (0.85) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL27864931 0.91 TOP1 (0.82) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL27363066 0.90 TOP1 (0.81) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8204358 0.90 TOP1 (0.81) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL8490531 0.90 TOP1 (0.81) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6829424 0.90 TOP1 (0.80) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL27479559 0.89 TOP1 (0.80) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL27363068 0.89 TOP1 (0.80) TOP1MEN1KMT2ASMN1; SMN2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007095389-A2 TREATMENT OF HYPERPROLIFERATIVE DISEASES WITH CAMPTOTHECINE N-OXIDE AND ANALOGS NOVACEA, INC. (US) 2007-08-23 — — WO claimed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 — — US disclosed
US-7452901-B2 Anti-cancer phosphonate analogs GILEAD SCIENCES, INC. (US) 2008-11-18 — — US disclosed
WO-2007095389-A2 TREATMENT OF HYPERPROLIFERATIVE DISEASES WITH CAMPTOTHECINE N-OXIDE AND ANALOGS NOVACEA, INC. (US) 2007-08-23 — — WO disclosed
EP-1007035-A4 POLYTHIOPHENE ANTI-TUMOR AGENTS PURDUE RESEARCH FOUNDATION (US) 2000-11-22 — — EP disclosed
EP-1007035-A1 POLYTHIOPHENE ANTI-TUMOR AGENTS PURDUE RESEARCH FOUNDATION (US) 2000-06-14 — — EP disclosed
WO-1998023269-A1 POLYTHIOPHENE ANTI-TUMOR AGENTS PURDUE RESEARCH FOUNDATION (US) 1998-06-04 — — WO disclosed
US-5741811-A ADMINISTERING TO CANCER PATIENTS PURDUE RESEARCH FOUNDATION (US) 1998-04-21 — — US disclosed
US-5578636-A Polythiophene anti-tumor agents PURDUE RESEARCH FOUNDATION (US) 1996-11-26 — — US disclosed
EP-0321122-B1 Water soluble camptothecin analogs SMITHKLINE BEECHAM CORP (US) 1996-09-25 — — EP disclosed
US-5004758-A Water soluble camptothecin analogs useful for inhibiting the growth of animal tumor cells SMITHKLINE BEECHAM CORPORATION (US) 1991-04-02 — — US disclosed
EP-0321122-A2 Water soluble camptothecin analogs SMITHKLINE BEECHAM CORPORATION (US) 1989-06-21 — — EP disclosed
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